Workshop Details
Large Amplitude Molecular Motion
07/26/1998 - 08/01/1998
Meeting Description:

* ZLATKO BACIC, New York University, USA, "Intermolecular vibrations and tunneling dynamics in water trimer and tetramer: reduced dimensionality treatments"
* JOEL BOWMAN, Emory University, USA, "'MULTIMODE': A new VSCF+CI code for molecules, large and small"
* VICTORIA BUCH, The Hebrew University of Jerusalem, Israel, "Vibrational spectra of water containing systems (clusters and condensed phases)"
* UDO BUCK, Max-Planck-Institut fuer Stroemungsforschung, Germany, "Coupled vibrations of free and embedded hydrogen bonded clusters"
* TUCKER CARRINGTON, Jr., Universite de Montreal, Canada, "Eckart-frame kinetic energy operators"
* HUA CHEN, The University of Chicago, USA, "Vibrations and tunneling in water dimer"
* CLIFFORD DYKSTRA, Indiana University-Purdue University Indianapolis, USA, "Potentials and dynamics of free and trapped clusters"
* DAVID FARRELLY, Utah State University, USA, "Computation of rotationally excited states of van der Waals clusters in (or out) of Helium-4 droplets by diffusion Monte Carlo methods"
* PETER FELKER, UCLA, USA, "The intermolecular Raman spectroscopy of molecular clusters"
* BENNY GERBER, The Hebrew University of Jerusalem, Israel, "Wavefunctions, spectroscopy and quantum dynamics of large clusters"
* NADINE HALBERSTADT, Universite Paul Sabatier, France, "Ionization and
fragmentation of neon clusters in helium nanodroplets: a theoretical model"
* KEN JORDAN, University of Pittsburgh, USA, "Properties of CO_2 and water clusters"
* MARC JOYEUX, Universite Joseph Fourier - Grenoble I, France, "Analysis of large amplitude molecular motion using perturbation theory and resonance Hamiltonians : the saddle-node states of HCP"
* MICHAEL KELLMAN, University of Oregon, USA, "Correlation operators for collective spectra"
* CLAUDE LEFORESTIER, Universite des Sciences et Techniques du Languedoc, France, "Vibration-rotation-tuneling spectrum of the water dimer: role of the monomers vibrations"
* SAMUEL LEUTWYLER, Universitaet Bern, Switzerland, "Cyclic water clusters: from floppy to rigid and back"
* ROBERT LITTLEJOHN, LBL, USA, "Body frame singularities in three- and four-atom systems"
* DOMINIK MARX, Max-Planck-Institut fuer Festkoerperforschung, Germany, "Ab initio path integrals: a novel approach to fluxional molecules in the gas and condensed phases"
* ROGER MILLER, University of North Carolina, USA, "Vibrational dynamics and internal rotations in the Ar-methane and Ne-acetylene complexes: theory and experiment"
* JIM MUCKERMAN, BNL, USA, "Vibrational dynamics of planar acetylene"
* DAVID NESBITT, JILA/NIST, University of Colorado, USA,"Large amplitude motion in clusters and radicals"
* DANIEL NEUHAUSER, UCLA, USA, "New ways to increase forward system size for correlated treatment of molecular structure and dynamics"
* NICOLAS POULIN, The University of Texas at Austin, USA, "Large J ro-vibrational energy levels of H2O calculated with a symmetry-adapted Lanczos method"
* MARTIN QUACK, ETH, Switzerland, "Large amplitude quantum motion as determined by high dimensional potential energy hypersurfaces, effective and true molecular hamiltonians"
* RICHARD SAYKALLY, UC Berkeley, USA, "VRT dynamics in water clusters"
* NED SIBERT, University of Wisconsin-Madison, USA, "The CH_3 + H recombination reaction: comparison of SACM to exact time dependent quantum scattering calculations"
* HOWARD TAYLOR, University of Southern California, USA, "Vibrations large and small in the pure bend spectrum of acetylene"
* MARK TUCKERMAN, New York University, USA, "Ab initio path integral studies of hydrogen bonds in small molecules and clusters"
* SOTIRIS XANTHEAS, PNL, USA, "Large amplitude hydrogen bonding vibrations in X-(H2O)n clusters: the role of the strength of the ion-water interaction in determining `classical structures' "
* KOICHI YAMASHITA, The University of Tokyo, Japan, "Ab initio potential energy surface and wavepacket dynamics of cis-trans isomerization of triplet acetylene"

Notes:

PARTICIPANTS:
ZLATKO BACIC zlatko.bacic@nyu.edu
JOEL BOWMAN bowman@euch3g.chem.emory.edu
VICTORIA BUCH viki@batata.fh.huji.ac.il
UDO BUCK ubuck@msfp18.gwdg.de
TUCKER CARRINGTON, Jr. tucker@chimie.umontreal.ca
HUA CHEN huachen@rainbow.uchicago.edu
CLIFFORD DYKSTRA dykstra@chem.iupui.edu
DAVID FARRELLY david@habanero.chem.usu.edu
PETER FELKER felker@chem.ucla.edu
BENNY GERBER benny@batata.fh.huji.ac.il
NADINE HALBERSTADT nhalbers@irsamc1.ups-tlse.fr
KEN JORDAN JORDAN@CPWSCA.PSC.EDU
MARC JOYEUX Marc.JOYEUX@ujf-grenoble.fr
MICHAEL KELLMAN Michael_Kellman@ccmail.uoregon.edu
CLAUDE LEFORESTIER lefores@lsd.univ-montp2.fr
SAMUEL LEUTWYLER samuel.leutwyler@iac.unibe.ch
ROBERT LITTLEJOHN rglittlejohn@lbl.gov
DOMINIK MARX marx@prr.mpi-stuttgart.mpg.de
ROGER MILLER remiller@unc.edu
JIM MUCKERMAN muckerma@bnl.gov
DAVID NESBITT djn@jila.colorado.edu
DANIEL NEUHAUSER dxn@chem.ucla.edu
NICOLAS POULIN nicolas@quantum.cm.utexas.edu
MARTIN QUACK maqu@ir.phys.chem.ethz.ch
RICHARD SAYKALLY saykally@cchem.berkeley.edu
NED SIBERT sibert@chem.wisc.edu
MARK TUCKERMAN tuck@tosca.chem.nyu.edu
SOTIRIS XANTHEAS ss_xantheas@pnl.gov
KOICHI YAMASHITA yamasita@qcl.t.u-tokyo.ac.jp

Meeting Venue:

Telluride School

Telluride Science Research Center
Post Office Box 2429, Telluride CO 81435
Tel: + 970.708.4426
Email: info@telluridescience.org
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